General Information of the Compound
| Compound ID |
CP0950546
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| Compound Name |
3-(beta-D-Glucopyranosyloxy)-4-[(4-methylthiophenyl)methyl]-5-trifluoromethyl-1H-pyrazole
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| Structure |
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| Formula |
C18H21F3N2O6S
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| Molecular Weight |
450.435
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| Canonical SMILES |
CSc1ccc(Cc2c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)n[nH]c2C(F)(F)F)cc1
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| InChI |
InChI=1S/C18H21F3N2O6S/c1-30-9-4-2-8(3-5-9)6-10-15(18(19,20)21)22-23-16(10)29-17-14(27)13(26)12(25)11(7-24)28-17/h2-5,11-14,17,24-27H,6-7H2,1H3,(H,22,23)/t11-,12-,13+,14-,17+/m1/s1
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| InChIKey |
XMRINXCTJKXHOY-MPZWGZMNSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT03804, Sodium/glucose cotransporter 1
Protein ID: PT02415, Sodium/glucose cotransporter 2